4-aminomethyl-2,5-dimethyl-pyridin-3-ol | 20485-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-aminomethyl-2,5-dimethyl-pyridin-3-ol
• 英文别名: 5'-Deoxypyridoxamin；5-Deoxy-pyridoxamin；5-Deoxypyridoxamin；5-Deoxypyridoxamine；4-(aminomethyl)-2,5-dimethylpyridin-3-ol
• CAS: 20485-33-0
• 化学式: C₈H₁₂N₂O
• mdl: MFCD18261351
• 分子量: 152.196
• InChiKey: REQXQTDIONLWJT-UHFFFAOYSA-N

物化性质

• 沸点：
  374.0±37.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-aminomethyl-2,5-dimethyl-pyridin-3-ol 生成 2,5-dimethyl-4-[(toluene-4-sulfonylamino)-methyl]-3-(toluene-4-sulfonyloxy)-pyridine
  参考文献：
  名称：

  Chemistry of Vitamin B₆. IX. Derivatives of 5-Desoxypyridoxine

  摘要：

  DOI：

  10.1021/ja01099a041
• 作为产物：
  描述：

  吡多胺 在 盐酸 、 palladium on activated charcoal 作用下， 生成 4-aminomethyl-2,5-dimethyl-pyridin-3-ol
  参考文献：
  名称：

  Naito; Ueno, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1277,1280

  摘要：

  DOI：

文献信息

• Herstellung von Derivaten des Pyridoxins, insbesondere dessen Schwefelanaloga
  作者：Selma Kreisky

  DOI：10.1007/bf00902522

  日期：——
• [EN] VITAMIN B6 DERIVATIVES OF NUCLEOTIDES, ACYCLONUCLEOTIDES AND ACYCLONUCLEOSIDE PHOSPHONATES<br/>[FR] DÉRIVÉS À BASE DE VITAMINE B6 DE NUCLÉOTIDES, D'ACYCLONUCLÉOTIDES ET DE PHOSPHONATES D'ACYCLONUCLÉOSIDES
  申请人：MBC PHARMA INC

  公开号：WO2013019874A9

  公开（公告）日：2013-04-11
• Alanine-dependent reactions of 5′-deoxypyridoxal in water
  作者：Maybelle K. Go、John P. Richard

  DOI：10.1016/j.bioorg.2008.08.003

  日期：2008.12

  The non-enzymatic reaction of 5'-deoxypyridoxal (DPL) with L-alanine in water at 25 degrees C was investigated. DPL reacts with alanine to form an imine, which then undergoes deprotonation at the alpha-amino carbon of alanine to form a resonance delocalized DPL-stabilized carbanion. At early reaction times the only detectable products are pyruvate and the dimeric species formed by addition of the alpha-pyridine stabilized carbanion to DPL No Claisen-type products of addition of the alpha-amino carbanion to DPL, as was previously reported to form from the reaction between DPL and glycine [K. Toth, T.L. Amyes, J.P. Richard, J.P.G. Malthouse, M.E. NiBeilliu, J. Am. Chem. Soc. 126 (2004) 10538-10539], are observed. The electrophile reacts instead at the alpha-pyridyl carbon. This dimer is in chemical equilibrium with reactants. At longer reaction times about 50% of DPL is converted to 5'-deoxypyridoxamine, the thermodynamically favored product of formal transamination of DPL. (C) 2008 Elsevier Inc. All rights reserved.
• Stereoselective Synthesis and Peptide Incorporation of a Pyridoxal Coenzyme-Amino Acid Chimera
  作者：Barbara Imperiali、Ranabir Sinha Roy

  DOI：10.1021/jo00111a061

  日期：1995.3
• VITAMIN B6 DERIVATIVES OF NUCLEOTIDES, ACYCLONUCLEOTIDES AND ACYCLONUCLEOSIDE PHOSPHONATES
  申请人：MBC Pharma, Inc.

  公开号：EP2739154B1

  公开（公告）日：2018-06-27